1,3-Diphenyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide

Base Information

Chemical Name:1,3-Diphenyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide
CAS No.:125103-48-2
Molecular Formula:C₂₂H₂₅N₃O
Molecular Weight:347.46
Hs Code.:
DSSTox Substance ID:DTXSID70154645
Wikidata:Q83021930
Mol file:125103-48-2.mol

Synonyms:125103-48-2;1,3-Diphenyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide;BRN 4203486;1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(3-methylbutyl)-;5-methyl-N-(3-methylbutyl)-1,3-diphenylpyrazole-4-carboxamide;DTXSID70154645;KAHHFAWBDLOGPJ-UHFFFAOYSA-N;LS-128203

Suppliers and Price of 1,3-Diphenyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1,3-DIPHENYL-5-METHYL-N-(3-METHYLBUTYL)-1H-PYRAZOLE-4-CARBOXAMIDE 95.00%
5MG
$ 500.18

Total 2 raw suppliers

Chemical Property of 1,3-Diphenyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide

Chemical Property:

Vapor Pressure:2.94E-10mmHg at 25°C
Boiling Point:503.3°C at 760 mmHg
Flash Point:258.2°C
PSA：50.41000
Density:1.09g/cm³
LogP:5.19840
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:347.199762429
Heavy Atom Count:26
Complexity:441

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

1,3-DIPHENYL-5-METHYL-N-(3-METHYLBUTYL)-1H-PYRAZOLE-4-CARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCCC(C)C

Technology Process of 1,3-Diphenyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide

There total 2 articles about 1,3-Diphenyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 71.0%

: 107-85-7
1-amino-3-methylbutane

: 857058-17-4
1,3-diphenyl-5-methylpyrazole-4-carboxylic chloride

: 125103-48-2
5-Methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid (3-methyl-butyl)-amide

Guidance literature:: In 1,2-dichloro-ethane; Ambient temperature;
DOI:10.1007/BF00766389

Reference yield:

: 15409-48-0
5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid

: 125103-48-2
5-Methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid (3-methyl-butyl)-amide

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 1 h / Heating

2: 71 percent / 1,2-dichloro-ethane / Ambient temperature

With thionyl chloride; In 1,2-dichloro-ethane;
DOI:10.1007/BF00766389